[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine

C14H11BrFN3O — CID 81332235

IUPAC[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(Oc2cc(F)cc(Br)c2)nc2ccccn12
InChIInChI=1S/C14H11BrFN3O/c15-9-5-10(16)7-11(6-9)20-14-12(8-17)19-4-2-1-3-13(19)18-14/h1-7H,8,17H2
InChIKeyPQQDBBFUBCVKGG-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.49
Rot. Bonds3

About [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine

[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 81332235) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID81332235
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(Oc2cc(F)cc(Br)c2)nc2ccccn12
InChIInChI=1S/C14H11BrFN3O/c15-9-5-10(16)7-11(6-9)20-14-12(8-17)19-4-2-1-3-13(19)18-14/h1-7H,8,17H2
InChIKeyPQQDBBFUBCVKGG-UHFFFAOYSA-N
XLogP3.49
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478684
[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478666
2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 107100284
1-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)isoquinoline
CID 81314920
[2-(2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478692
3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087014
2-(5-bromo-2-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 114674035
2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 81325942

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 81332235) is [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(Oc2cc(F)cc(Br)c2)nc2ccccn12.
What is the InChIKey of [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is PQQDBBFUBCVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-9-5-10(16)7-11(6-9)20-14-12(8-17)19-4-2-1-3-13(19)18-14/h1-7H,8,17H2.
What are the key properties of [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 336.16 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 81332235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).